| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:28 UTC |
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| Update Date | 2025-03-21 18:37:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116317 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C9H8O6 |
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| Molecular Mass | 212.0321 |
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| SMILES | O=C(O)COc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | WHEBSGWQZBDLBO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundssalicylic acidsvinylogous acids |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acid4-alkoxyphenolbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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